Information card for entry 7045553

Structure parameters

• Formula: C74 H104 Er2 N6 Si2
• Calculated formula: C74 H104 Er2 N6 Si2
• SMILES: CC(C)c1cccc(c1[N]1=C(C)C=C(N(CCn2c(C)ccc2C)[Er]21(C[Si](C)(C)C)[C](#Cc1ccccc1)[Er]1([N](c3c(C(C)C)cccc3C(C)C)=C(C)C=C(N1CCn1c(C)ccc1C)C)(C[Si](C)(C)C)[C]2#Cc1ccccc1)C)C(C)C
• Title of publication: Versatile reactivities of rare-earth metal dialkyl complexes supported by a neutral pyrrolyl-functionalized β-diketiminato ligand.
• Authors of publication: Zhu, Xiancui; Li, Yang; Guo, Dianjun; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3947 - 3957
• a: 11.8774 ± 0.0014 Å
• b: 13.9863 ± 0.0017 Å
• c: 15.4143 ± 0.0019 Å
• α: 88.177 ± 0.001°
• β: 68.369 ± 0.001°
• γ: 76.284 ± 0.001°
• Cell volume: 2308 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No